Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 5/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6975018 | 0.94 | GRIN1 (0.38) | GRIN1GRIN2BTLR7SRCENPP2 | |
| SCHEMBL6969811 | 0.93 | GRIN1 (0.37) | GRIN1GRIN2BTLR7SRCENPP2 | |
| SCHEMBL6969539 | 0.91 | GRIN1 (0.39) | GRIN1GRIN2BTLR7SRCIDO1 | |
| SCHEMBL7082316 | 0.90 | TLR7 (0.36) | GRIN1GRIN2BTLR7SRCALDH1A1 | |
| SCHEMBL7079248 | 0.89 | TDP1 (0.37) | TLR7ALDH1A1TDP1CYP11B2 | |
| SCHEMBL6969270 | 0.89 | TLR7 (0.35) | TLR7SRCALDH1A1TDP1PKM | |
| SCHEMBL6973823 | 0.89 | GRIN1 (0.38) | GRIN1GRIN2BTLR7SRCIDO1 | |
| SCHEMBL6969774 | 0.89 | ENPP2 (0.35) | TLR7ENPP2ALDH1A1TDP1CYP11B2 | |
| SCHEMBL7080963 | 0.89 | TLR7 (0.41) | TLR7SRCENPP2ALDH1A1TDP1 | |
| SCHEMBL6973501 | 0.87 | LMNA (0.40) | GRIN1GRIN2BENPP2PKM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| US-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| US-5910506-A | IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC | SHIONOGI & CO., LTD. (JP) | 1999-06-08 | — | — | US | disclosed |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |